AcIn2IO8
Alexandria ALEXAlex-ID: agm004904580 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_356_spg65
AcIO5 In2O3
2023-01-03 07:11:33.036811
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004904580).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm004904580
data_agm004904580
_cell_length_a 4.95357
_cell_length_b 4.98309
_cell_length_c 7.09356
_cell_angle_alpha 90.00159
_cell_angle_beta 90.00311
_cell_angle_gamma 88.61602
_cell_volume 175.04722
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ac1 Ac 0.00000 0.00000 0.50000 1.00000
In1 In 0.49995 0.49994 0.75502 1.00000
In2 In 0.50005 0.50006 0.24498 1.00000
I1 I 0.00000 0.00000 0.00000 1.00000
O1 O 0.18683 0.80996 0.19655 1.00000
O2 O 0.72115 0.72538 0.00005 1.00000
O3 O 0.81330 0.19018 0.19653 1.00000
O4 O 0.81317 0.19004 0.80345 1.00000
O5 O 0.27885 0.27462 0.99995 1.00000
O6 O 0.18670 0.80982 0.80347 1.00000
O7 O 0.66447 0.68222 0.50009 1.00000
O8 O 0.33553 0.31778 0.49991 1.00000
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